3-[[2-(benzimidazol-1-yl)-6-[2-(4-methylpiperazin-1-yl)ethylamino]pyrimidin-4-yl]amino]-4-methyl-phenol

Systemtic Name: 3-[[2-(benzimidazol-1-yl)-6-[2-(4-methylpiperazin-1-yl)ethylamino]pyrimidin-4-yl]amino]-4-methyl-phenol Openeye Name: 3-[[2-(benzimidazol-1-yl)-6-[2-(4-methylpiperazin-1-yl)ethylamino]pyrimidin-4-yl]amino]-4-methyl-phenol CAS Name: 3-[[2-(1-benzimidazolyl)-6-[2-(4-methyl-1-piperazinyl)ethylamino]-4-pyrimidinyl]amino]-4-methylphenol IUPAC Name: 3-[[2-(benzimidazol-1-yl)-6-[2-(4-methylpiperazin-1-yl)ethylamino]pyrimidin-4-yl]amino]-4-methylphenol Traditional Name: 3-[[2-(benzimidazol-1-yl)-6-[2-(4-methylpiperazino)ethylamino]pyrimidin-4-yl]amino]-4-methyl-phenol Formula: C25H30N8O MolecularWeight: 458.5587

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)O)NC2=CC(=NC(=N2)N3C=NC4=CC=CC=C43)NCCN5CCN(CC5)C

Isomeric SMILES

CC1=C(C=C(C=C1)O)NC2=CC(=NC(=N2)N3C=NC4=CC=CC=C43)NCCN5CCN(CC5)C

InChI

InChI=1S/C25H30N8O/c1-18-7-8-19(34)15-21(18)28-24-16-23(26-9-10-32-13-11-31(2)12-14-32)29-25(30-24)33-17-27-20-5-3-4-6-22(20)33/h3-8,15-17,34H,9-14H2,1-2H3,(H2,26,28,29,30)